3-[[3,4-bis(oxidanyl)phenyl]methylamino]propane-1-sulfonic acid

Systemtic Name: 3-[[3,4-bis(oxidanyl)phenyl]methylamino]propane-1-sulfonic acid Openeye Name: 3-[(3,4-dihydroxyphenyl)methylamino]propane-1-sulfonic acid CAS Name: 3-[(3,4-dihydroxyphenyl)methylamino]-1-propanesulfonic acid IUPAC Name: 3-[(3,4-dihydroxyphenyl)methylamino]propane-1-sulfonic acid Traditional Name: 3-(protocatechuylamino)propane-1-sulfonic acid Formula: C10H15NO5S MolecularWeight: 261.2948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CNCCCS(=O)(=O)O)O)O

Isomeric SMILES

C1=CC(=C(C=C1CNCCCS(=O)(=O)O)O)O

InChI

InChI=1S/C10H15NO5S/c12-9-3-2-8(6-10(9)13)7-11-4-1-5-17(14,15)16/h2-3,6,11-13H,1,4-5,7H2,(H,14,15,16)